| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2009 | 20 | Yes |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.73 | 7.02 | -117.2 | 4 | 5 | 2 | 61 | 273.384 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.73 | 4.41 | -7.03 | 2 | 5 | 0 | 58 | 271.368 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.73 | 4.79 | -49.11 | 3 | 5 | 1 | 60 | 272.376 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.73 | 7.48 | -167.68 | 5 | 5 | 3 | 62 | 274.392 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
